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DIRseq as a method for predicting drug-interacting residues of intrinsically disordered proteins from sequences

Intrinsically disordered proteins (IDPs) are now well-recognized as drug targets. Identifying drug-interacting residues is valuable for both optimizing compounds and elucidating the mechanism of action. Currently, NMR chemical shift perturbation and all-atom molecular dynamics (MD) simulations are t...

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Detalhes bibliográficos
Main Authors: Matt MacAinsh, Sanbo Qin, Huan-Xiang Zhou
Formato: Artigo
Idioma:Inglês
Publicado em: eLife Sciences Publications Ltd 2025-10-01
Colecção:eLife
Assuntos:
Acesso em linha:https://elifesciences.org/articles/107470
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